(2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

C17H21N5O — CID 127697773

IUPAC(2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C17H21N5O/c1-10-15(11(2)21-20-10)14-4-3-9-22(14)17(23)13-7-8-18-16(19-13)12-5-6-12/h7-8,12,14H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyMITOMNZDHJCDRM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.67
Rot. Bonds3

About (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 127697773) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID127697773
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1n[nH]c(C)c1C1CCCN1C(=O)c1ccnc(C2CC2)n1
InChIInChI=1S/C17H21N5O/c1-10-15(11(2)21-20-10)14-4-3-9-22(14)17(23)13-7-8-18-16(19-13)12-5-6-12/h7-8,12,14H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyMITOMNZDHJCDRM-UHFFFAOYSA-N
XLogP2.67
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 127697773) is (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1n[nH]c(C)c1C1CCCN1C(=O)c1ccnc(C2CC2)n1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MITOMNZDHJCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-15(11(2)21-20-10)14-4-3-9-22(14)17(23)13-7-8-18-16(19-13)12-5-6-12/h7-8,12,14H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127697773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).